SCHEMBL6739714

SCHEMBL6739714

N#C[C@@H](NC(=O)[CH]CS(=O)(=O)Cc1ccccc1C(N)=O)c1cccs1

nearest known ligand 0.33

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CTSC P53634 3/20 0.33
TP53 P04637 2/20 0.33
KDM4E B2RXH2 1/20 0.33
NPC1 O15118 1/20 0.33
ALDH1A1 P00352 1/20 0.33
GAA P10253 1/20 0.33
MAPT P10636 1/20 0.33
NFKB1 P19838 1/20 0.33
RAB9A P51151 1/20 0.33
NFKB2 Q00653 1/20 0.33
RELA Q04206 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
MAPK8 P45983 2/20 0.31
CTSB P07858 1/20 0.31
CTSS P25774 1/20 0.31
ALOX5 P09917 1/20 0.31
LMNA P02545 1/20 0.30

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL6063011 0.84 CTSC (0.38) CTSCTP53SMN1; SMN2CTSBCTSS
SCHEMBL6738439 0.82 KDM4E (0.34) CTSCKDM4EALDH1A1
SCHEMBL6840884 0.82 KDM4E (0.33) TP53KDM4ENPC1ALDH1A1MAPT
SCHEMBL6807320 0.70 ALDH1A1 (0.39) KDM4ENPC1ALDH1A1MAPTRAB9A
SCHEMBL5441931 0.69 KDM4E (0.34) TP53KDM4EALDH1A1MAPTSMN1; SMN2
SCHEMBL6063016 0.67 CTSC (0.43) CTSCTP53ALDH1A1CTSBCTSS
SCHEMBL5441976 0.67 KDM4E (0.34) TP53KDM4EALDH1A1MAPTSMN1; SMN2
SCHEMBL6739717 0.67 CTSC (0.48) CTSCTP53CTSBCTSSLMNA
SCHEMBL5440671 0.66 MMP1 (0.36) KDM4ENPC1ALDH1A1GAAMAPT
SCHEMBL6697770 0.65 TP53 (0.33) TP53KDM4EGAACTSBCTSS

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20040014796-A1 Novel compounds and compositions as cathepsin S inhititors AXYS PHARMACEUTICALS, INC. 2004-01-22 US disclosed
US-6492362-B1 Compounds and compositions as cathepsin S inhibitors AXYS PHARMACEUTICALS, INC. 2002-12-10 US disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20040014796-A1 Novel compounds and compositions as cathepsin S inhititors CTSS, CTSB, CTSE CTSC 13/4885TP53 1212/4885KDM4E 4465/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.